3-[4-[[1-ethanoyl-4-(sulfanylmethyl)piperidin-2-yl]-methanoyl-amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[1-ethanoyl-4-(sulfanylmethyl)piperidin-2-yl]-methanoyl-amino]phenyl]propanoic acid Openeye Name: 3-[4-[[1-acetyl-4-(sulfanylmethyl)-2-piperidyl]-formyl-amino]phenyl]propanoic acid CAS Name: 3-[4-[[1-acetyl-4-(mercaptomethyl)-2-piperidinyl]-formylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[[1-acetyl-4-(sulfanylmethyl)piperidin-2-yl]-formylamino]phenyl]propanoic acid Traditional Name: 3-[4-[[1-acetyl-4-(mercaptomethyl)-2-piperidyl]-formyl-amino]phenyl]propionic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1N(C=O)C2=CC=C(C=C2)CCC(=O)O)CS

Isomeric SMILES

CC(=O)N1CCC(CC1N(C=O)C2=CC=C(C=C2)CCC(=O)O)CS

InChI

InChI=1S/C18H24N2O4S/c1-13(22)19-9-8-15(11-25)10-17(19)20(12-21)16-5-2-14(3-6-16)4-7-18(23)24/h2-3,5-6,12,15,17,25H,4,7-11H2,1H3,(H,23,24)